ethyl (Z)-3-(diethylsulfamoyl)-2-fluorobut-2-enoate

C10H18FNO4S — CID 23234092

IUPACethyl (Z)-3-(diethylsulfamoyl)-2-fluorobut-2-enoate
SMILESCCOC(=O)/C(F)=C(\C)S(=O)(=O)N(CC)CC
InChIInChI=1S/C10H18FNO4S/c1-5-12(6-2)17(14,15)8(4)9(11)10(13)16-7-3/h5-7H2,1-4H3/b9-8-
InChIKeySJGXCZHTFFSGHD-HJWRWDBZSA-N
MW267.32 g/mol
LogP1.42
Rot. Bonds6

About ethyl (Z)-3-(diethylsulfamoyl)-2-fluorobut-2-enoate

ethyl (Z)-3-(diethylsulfamoyl)-2-fluorobut-2-enoate (PubChem CID 23234092) has the molecular formula C10H18FNO4S and a molecular weight of 267.32 g/mol. Its IUPAC name is ethyl (Z)-3-(diethylsulfamoyl)-2-fluorobut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(diethylsulfamoyl)-2-fluorobut-2-enoate
PubChem CID23234092
Molecular FormulaC10H18FNO4S
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Nameethyl (Z)-3-(diethylsulfamoyl)-2-fluorobut-2-enoate
SMILESCCOC(=O)/C(F)=C(\C)S(=O)(=O)N(CC)CC
InChIInChI=1S/C10H18FNO4S/c1-5-12(6-2)17(14,15)8(4)9(11)10(13)16-7-3/h5-7H2,1-4H3/b9-8-
InChIKeySJGXCZHTFFSGHD-HJWRWDBZSA-N
XLogP1.42
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,3-difluorobut-2-enoate
CID 73190120
ethyl (Z)-2,4-difluoro-3-methylbut-2-enoate
CID 132608979
diethyl (E)-2-fluoro-3-propan-2-ylbut-2-enedioate
CID 11096459
ethyl 2-oxo(213C)propanoate
CID 71309469
CID 159370772
CID 159370772
ethyl 2-[ethyl(ethylsulfamoyl)amino]acetate
CID 115638420
diethyl oxalate;ethyl acetate
CID 160900883
CID 159689459
CID 159689459
ethyl (E)-2,3-difluorooct-2-enoate
CID 101074943
ethyl (E)-2-fluorobut-2-enoate
CID 15594785
CID 175995571
CID 175995571
bis(ethyl 2-amino-3-methylbut-2-enoate);sulfuric acid
CID 174852993

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(diethylsulfamoyl)-2-fluorobut-2-enoate?
The IUPAC name of ethyl (Z)-3-(diethylsulfamoyl)-2-fluorobut-2-enoate (CID 23234092) is ethyl (Z)-3-(diethylsulfamoyl)-2-fluorobut-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(diethylsulfamoyl)-2-fluorobut-2-enoate?
The canonical SMILES for ethyl (Z)-3-(diethylsulfamoyl)-2-fluorobut-2-enoate is CCOC(=O)/C(F)=C(\C)S(=O)(=O)N(CC)CC.
What is the InChIKey of ethyl (Z)-3-(diethylsulfamoyl)-2-fluorobut-2-enoate?
The InChIKey is SJGXCZHTFFSGHD-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H18FNO4S/c1-5-12(6-2)17(14,15)8(4)9(11)10(13)16-7-3/h5-7H2,1-4H3/b9-8-.
What are the key properties of ethyl (Z)-3-(diethylsulfamoyl)-2-fluorobut-2-enoate?
ethyl (Z)-3-(diethylsulfamoyl)-2-fluorobut-2-enoate has a molecular weight of 267.32 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(diethylsulfamoyl)-2-fluorobut-2-enoate is sourced from PubChem (CID 23234092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).